A computer simulation based on the binary collision approximation has been performed to investigate the Si implantation efficiency, the Si depth profile, and the vacancy formation for Si‐implanted GaAs (001) crystals. The results reveal a strong dependence on the incident angle of the Si source. The calculated depth profile of Si agrees well with the experimental results from secondary‐ion mass spectroscopy. The simulated distribution of vacancies is shallower than that of Si atoms. Also, the calculated number of Ga vacancies exceeds that of As vacancies, which suggests that the Si atoms easily occupy the Ga sites and are activated as donors.